(2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide

C17H18N4O2S — CID 124504924

IUPAC(2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3CCC(=O)N3)cc2)n1
InChIInChI=1S/C17H18N4O2S/c1-10-9-11(2)19-17(18-10)24-13-5-3-12(4-6-13)20-16(23)14-7-8-15(22)21-14/h3-6,9,14H,7-8H2,1-2H3,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyKNCBYRQLMLGMSE-CQSZACIVSA-N
MW342.42 g/mol
LogP2.46
Rot. Bonds4

About (2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 124504924) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID124504924
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3CCC(=O)N3)cc2)n1
InChIInChI=1S/C17H18N4O2S/c1-10-9-11(2)19-17(18-10)24-13-5-3-12(4-6-13)20-16(23)14-7-8-15(22)21-14/h3-6,9,14H,7-8H2,1-2H3,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyKNCBYRQLMLGMSE-CQSZACIVSA-N
XLogP2.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 75417416
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
CID 15079946
2,2-dichloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 24677204
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26208676
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide
CID 119700062
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276811
N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110689742
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939
(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 675422

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide (CID 124504924) is (2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide is Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3CCC(=O)N3)cc2)n1.
What is the InChIKey of (2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KNCBYRQLMLGMSE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-9-11(2)19-17(18-10)24-13-5-3-12(4-6-13)20-16(23)14-7-8-15(22)21-14/h3-6,9,14H,7-8H2,1-2H3,(H,20,23)(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 124504924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).